1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-isobutyl-1-[(2S)-7-methoxytetralin-2-yl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-isobutyl-1-[(2S)-7-methoxytetralin-2-yl]-1,4-diazepan-1-ium-5-one Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CCC1=O)C2CCC3=C(C2)C=C(C=C3)OC

Isomeric SMILES

CC(C)CN1CC[NH+](CCC1=O)[C@H]2CCC3=C(C2)C=C(C=C3)OC

InChI

InChI=1S/C20H30N2O2/c1-15(2)14-22-11-10-21(9-8-20(22)23)18-6-4-16-5-7-19(24-3)13-17(16)12-18/h5,7,13,15,18H,4,6,8-12,14H2,1-3H3/p+1/t18-/m0/s1